CAS
2103-94-8 Purity
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2103-94-8 Purity
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Specification
The molecular formula is C8H9BrO.
The molecular weight is 201.06 g/mol.
The IUPAC name is 4-(2-bromoethyl)phenol.
The InChI is InChI=1S/C8H9BrO/c9-6-5-7-1-3-8(10)4-2-7/h1-4,10H,5-6H2.
The InChIKey is DYYVTFCYVZEQDG-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=CC=C1CCBr)O.
The CAS number is 14140-15-9.
The ChEMBL ID is CHEMBL24838.
The XLogP3 value is 2.8.
Yes, 4-(2-Bromoethyl)phenol is a canonicalized compound.